基本情報
- CAS
76947-02-9- 標準SMILES
CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])O- InChIKey
BMTUFQKYWWLCLC-UHFFFAOYSA-K- 分子式
- C48H109N3O7P2
- 平均分子量
- 902.3 g/mol
名称と識別子
- 優先名称
- Tris(tetrabutylammonium) hydrogen pyrophosphate
- IUPAC
- [hydroxy(oxido)phosphoryl] phosphate;tris(tetrabutylazanium)
- 現地名
- ピロりん酸水素トリス(テトラブチルアンモニウム)
- 英語名
- Tris(tetrabutylammonium) hydrogen pyrophosphate
- 分子式
- C16H37NO7P2(-2)
- 分子量
- 417.42
名称と別名
名称をさらに表示
データベース識別子
- CAS
76947-02-9- PubChem CID
- 11115639
- EC Number
- 629-331-4
物性
構造計算による物性
- 極性表面積
- 133 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 37
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 270
物理化学的性質
- 融点
- 145 · 145 - 148°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- メタノール(微量)、水(微量)
- 外見
- 個体
- 色
- 白色~淡黄色
- BRN
- 4632762 · 4632762
- 安定性
- 吸湿性
- InChI
- InChI=1S/C16H36N.H4O7P2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2,3)7-9(4,5)6/h5-16H2,1-4H3;(H2,1,2,3)(H2,4,5,6)/q+1;/p-3
- InChIKey
- BMTUFQKYWWLCLC-UHFFFAOYSA-K
- SMILES
- [N+](CCCC)(CCCC)(CCCC)CCCC.O(P(O)([O-])=O)P([O-])([O-])=O
化学的性質
化学的特性White Crystalline Powder
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全データ
- F
- 3-10
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
説明Tris(tetrabutylammonium) hydrogen pyrophosphate is a reagent used for pyrophosphorylation, reactions involving isoprenoid derivatives, and the pyrophosphorylation and triphosphorylation of nucleosides.Tris(tetrabutylammonium) hydrogen pyrophosphate. A new reagent for the preparation of allylic pyrophosphate esters
使用Phosphorylating reagent.
一般的な説明Tris(tetrabutylammonium) hydrogen pyrophosphate is a triphosphate that is used as a nucleophile in organic synthesis. It reacts with isopropyl alcohol to form the corresponding cyclic adducts, which can be isolated as the corresponding acetonitrile salts. Tris(tetrabutylammonium) hydrogen pyrophosphate is also used as an intermediate for the synthesis of other molecules, such as geranyl, and provides a predictable means of synthesizing isotopomers of these molecules. This molecule may be prepared by reacting ammonium bicarbonate with chloride and then adding isopropyl alcohol to the mixture.
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